CID 830056

314745-61-4

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(=O)NN)C
InChI
InChI=1S/C14H16N2O5/c1-3-19-14(18)13-8(2)21-11-5-4-9(6-10(11)13)20-7-12(17)16-15/h4-6H,3,7,15H2,1-2H3,(H,16,17)
InChIKey
GGLMCLGNPLYWCE-UHFFFAOYSA-N
Compound name
ethyl 5-(2-hydrazinyl-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 164.9
[M+Na]+ 315.09515 173.0
[M-H]- 291.09865 170.5
[M+NH4]+ 310.13975 181.4
[M+K]+ 331.06909 172.5
[M+H-H2O]+ 275.10319 158.2
[M+HCOO]- 337.10413 189.7
[M+CH3COO]- 351.11978 206.0
[M+Na-2H]- 313.08060 168.5
[M]+ 292.10538 171.2
[M]- 292.10648 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.